[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=C(C=C1)N(C)C)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)N(C)C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O5/c1-15(22-19(25)13-28-18-7-5-4-6-8-18)21(27)29-14-20(26)23-16-9-11-17(12-10-16)24(2)3/h4-12,15H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t15-/m0/s1